Figure 1.15
Example local environment around an A nucleus. Each open-shell TM ion in a ≈5 Å sphere around species A transfers a finite amount of unpaired electron spin density from its d orbitals to s orbitals on A, via bridging O 2p orbitals. This in turn results in a finite contribution to the overall Fermi contact shift of A. In this case, three TM–O–A spin density transfer pathways, Pi, can be distinguished, leading to different amounts of spin density transfer and therefore to different shift contributions.

Example local environment around an A nucleus. Each open-shell TM ion in a ≈5 Å sphere around species A transfers a finite amount of unpaired electron spin density from its d orbitals to s orbitals on A, via bridging O 2p orbitals. This in turn results in a finite contribution to the overall Fermi contact shift of A. In this case, three TM–O–A spin density transfer pathways, Pi, can be distinguished, leading to different amounts of spin density transfer and therefore to different shift contributions.

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